3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C13H10F3N5O2S — CID 166241492

IUPAC3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccc(OCC(F)(F)F)nn3)c(=O)c12
InChIInChI=1S/C13H10F3N5O2S/c1-7-10-11(24-20-7)17-6-21(12(10)22)4-8-2-3-9(19-18-8)23-5-13(14,15)16/h2-3,6H,4-5H2,1H3
InChIKeyUPNSOOWEOBUUDQ-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.94
Rot. Bonds4

About 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 166241492) has the molecular formula C13H10F3N5O2S and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID166241492
Molecular FormulaC13H10F3N5O2S
Molecular Weight357.32 g/mol
Exact Mass357.05
IUPAC Name3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESCc1nsc2ncn(Cc3ccc(OCC(F)(F)F)nn3)c(=O)c12
InChIInChI=1S/C13H10F3N5O2S/c1-7-10-11(24-20-7)17-6-21(12(10)22)4-8-2-3-9(19-18-8)23-5-13(14,15)16/h2-3,6H,4-5H2,1H3
InChIKeyUPNSOOWEOBUUDQ-UHFFFAOYSA-N
XLogP1.94
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 166241492) is 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is Cc1nsc2ncn(Cc3ccc(OCC(F)(F)F)nn3)c(=O)c12.
What is the InChIKey of 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UPNSOOWEOBUUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2S/c1-7-10-11(24-20-7)17-6-21(12(10)22)4-8-2-3-9(19-18-8)23-5-13(14,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 357.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166241492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).